5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole

C34H22N4O — CID 147120905

IUPAC5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole
SMILESC1=CC2Oc3c(cccc3-n3c4ccccc4c4ncccc43)C2C=C1n1c2ccccc2c2ncccc21
InChIInChI=1S/C34H22N4O/c1-3-11-26-23(8-1)32-28(14-6-18-35-32)37(26)21-16-17-31-25(20-21)22-10-5-13-30(34(22)39-31)38-27-12-4-2-9-24(27)33-29(38)15-7-19-36-33/h1-20,25,31H
InChIKeyBOIJWYJNMBEQLB-UHFFFAOYSA-N
MW502.58 g/mol
LogP7.64
Rot. Bonds2

About 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole

5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole (PubChem CID 147120905) has the molecular formula C34H22N4O and a molecular weight of 502.58 g/mol. Its IUPAC name is 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole
PubChem CID147120905
Molecular FormulaC34H22N4O
Molecular Weight502.58 g/mol
Exact Mass502.18
IUPAC Name5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole
SMILESC1=CC2Oc3c(cccc3-n3c4ccccc4c4ncccc43)C2C=C1n1c2ccccc2c2ncccc21
InChIInChI=1S/C34H22N4O/c1-3-11-26-23(8-1)32-28(14-6-18-35-32)37(26)21-16-17-31-25(20-21)22-10-5-13-30(34(22)39-31)38-27-12-4-2-9-24(27)33-29(38)15-7-19-36-33/h1-20,25,31H
InChIKeyBOIJWYJNMBEQLB-UHFFFAOYSA-N
XLogP7.64
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole with MolForge

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Related Compounds

6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 144670262
3-methyl-9-(8-methyl-4a,9b-dihydrodibenzofuran-2-yl)carbazole
CID 138722958
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
CID 166668322
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
9-methyl-20-oxa-4,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,15,17-octaene
CID 163467128
5-(4a,9b-dihydrodibenzofuran-2-yl)-21-dibenzofuran-2-yl-5,21-diazanonacyclo[16.14.1.12,13.04,12.06,11.020,28.022,27.029,33.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20(28),22,24,26,29,31-hexadecaene
CID 163986854
5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
CID 71234625
5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 143647877
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole
CID 163771850
4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655633

Frequently Asked Questions

What is the IUPAC name of 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole (CID 147120905) is 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole is C1=CC2Oc3c(cccc3-n3c4ccccc4c4ncccc43)C2C=C1n1c2ccccc2c2ncccc21.
What is the InChIKey of 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole?
The InChIKey is BOIJWYJNMBEQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O/c1-3-11-26-23(8-1)32-28(14-6-18-35-32)37(26)21-16-17-31-25(20-21)22-10-5-13-30(34(22)39-31)38-27-12-4-2-9-24(27)33-29(38)15-7-19-36-33/h1-20,25,31H.
What are the key properties of 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole?
5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole has a molecular weight of 502.58 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 147120905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).